1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide

C14H19BrN2O2 — CID 82978718

IUPAC1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1ccc(O)c(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-16-14(19)12-4-2-3-7-17(12)9-10-5-6-13(18)11(15)8-10/h5-6,8,12,18H,2-4,7,9H2,1H3,(H,16,19)
InChIKeyBVCGBRZTSFFGHD-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.26
Rot. Bonds3

About 1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide

1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 82978718) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID82978718
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1ccc(O)c(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-16-14(19)12-4-2-3-7-17(12)9-10-5-6-13(18)11(15)8-10/h5-6,8,12,18H,2-4,7,9H2,1H3,(H,16,19)
InChIKeyBVCGBRZTSFFGHD-UHFFFAOYSA-N
XLogP2.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 79673021
1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985657
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
CID 55046708
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2-bromophenol
CID 82982172
1-[(5-bromo-2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115903842
(2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
CID 134313054
N-methyl-1-[[2-(propylamino)-4-pyridinyl]methyl]piperidine-2-carboxamide
CID 62466604
N-methyl-1-[(3-pyridin-2-ylphenyl)methyl]piperidine-2-carboxamide
CID 75438609
1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47424733
methyl 1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 55211640

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide (CID 82978718) is 1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1Cc1ccc(O)c(Br)c1.
What is the InChIKey of 1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is BVCGBRZTSFFGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-16-14(19)12-4-2-3-7-17(12)9-10-5-6-13(18)11(15)8-10/h5-6,8,12,18H,2-4,7,9H2,1H3,(H,16,19).
What are the key properties of 1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 82978718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).